E-LIB Suche - Ergebnisse für: McDonagh, James L.

1

Chemical space analysis and property prediction for carbon ..:

McDonagh, James L. ; Zavitsanou, Stamatia ; Harrison, Alexander...
Digital Discovery. 3 (2024) 3 - p. 528-543 , 2024

Link: https://doi.org/10.1039/..

2

Developing semi-empirical water model for efficiently simul..:

Luan, Binquan ; McDonagh, James L.
Physical Chemistry Chemical Physics. 26 (2024) 4 - p. 3540-3547 , 2024

Link: https://doi.org/10.1039/..

3

MDLab: AI frameworks for carbon capture and battery materia..:

Elmegreen, Bruce ; Hamann, Hendrik F. ; Wunsch, Benjamin...
Frontiers in Environmental Science. 11 (2023) - p. , 2023

Link: https://doi.org/10.3389/..

4

Application of machine-learning algorithms to predict the t..:

Šlepavičius, Justinas ; Patti, Alessandro ; McDonagh, James L..
The Journal of Chemical Physics. 159 (2023) 2 - p. , 2023

Link: https://doi.org/10.1063/..

5

Blinded Predictions and Post Hoc Analysis of the Second Sol..:

Conn, Jonathan G. M. ; Carter, James W. ; Conn, Justin J. A....
Journal of Chemical Information and Modeling. 63 (2023) 4 - p. 1099-1113 , 2023

Link: https://doi.org/10.1021/..

6

Fast, Transparent, and High-Fidelity Memoization Cache-Keys..:

, In: 2022 IEEE International Conference on Services Computing (SCC),

Vassiliadis, Vassilis ; Johnston, Michael A. ; McDonagh, James L. - p. 174-184 , 2022

Link: https://doi.org/10.1109/..

7

Modelling a permanent magnet synchronous motor in FEniCSx f..:

McDonagh, James ; Palumbo, Nunzio ; Cherukunnath, Neeraj..
Finite Elements in Analysis and Design. 204 (2022) - p. 103755 , 2022

Link: https://doi.org/10.1016/..

8

What can digitisation do for formulated product innovation ..:

McDonagh, James L ; Swope, William C ; Anderson, Richard L..
Polymer International. 70 (2020) 3 - p. 248-255 , 2020

Link: https://doi.org/10.1002/..

9

Utilizing Machine Learning for Efficient Parameterization o..:

McDonagh, James L. ; Shkurti, Ardita ; Bray, David J...
Journal of Chemical Information and Modeling. 59 (2019) 10 - p. 4278-4288 , 2019

Link: https://doi.org/10.1021/..

10

3. In Silico methods to predict solubility:

, In: Solubility in Pharmaceutical Chemistry,

McDonagh, James L. ; Mitchell, John Bo ; Palmer, David S. - p. 71-112 , 2019

Link: https://doi.org/10.1515/..

11

Challenge to Reconcile Experimental Micellar Properties of ..:

Swope, William C. ; Johnston, Michael A. ; Duff, Andrew Ian...
The Journal of Physical Chemistry B. 123 (2019) 7 - p. 1696-1707 , 2019

Link: https://doi.org/10.1021/..

12

Improving Performance and Energy Efficiency on OpenPower Sy..:

, In: Lecture Notes in Computer Science; High Performance Computing,

Puzović, Miloš ; Elisseev, Vadim ; Jordan, Kirk... - p. 411-417 , 2018

Link: https://doi.org/10.1007/..

13

Cover Feature: The Transferability of Topologically Partiti..:

Silva, Arnaldo F. ; Vincent, Mark A. ; McDonagh, James L..
ChemPhysChem. 18 (2017) 23 - p. 3289-3289 , 2017

Link: https://doi.org/10.1002/..

14

The Transferability of Topologically Partitioned Electron C..:

Silva, Arnaldo F. ; Vincent, Mark A. ; McDonagh, James L..
ChemPhysChem. 18 (2017) 23 - p. 3360-3368 , 2017

Link: https://doi.org/10.1002/..

15

The effects of higher orders of perturbation theory on the ..:

Vincent, Mark A. ; Silva, Arnaldo F. ; McDonagh, James L..
International Journal of Quantum Chemistry. 118 (2017) 8 - p. , 2017

Link: https://doi.org/10.1002/..